Procaine penicillin G - ≥98% , CAS No.54-35-3

CAS: 54-35-3 Cat. No.: P413205 Formula: C₂₉H₃₈N₄O₆S Peso molecolare: 570.7 Numero EC: 200-205-7 PubChem CID: 5903

GRADE & PURITY ≥98%

Synonyms

EINECS 200-205-7 | Micro-Pen | Pro-Pen-G | WHRVRSCEWKLAHX-LQDWTQKMSA-N | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(diethylamino)ethyl 4-aminobenzoate | 4-Thia-1-azabicyclo(3.2.0)heptane-2-c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Information

Procaine penicillin G Penicillin G Procaine (PGP, Penicillin G Procaine, Bicillin C-R), a crystalline complex combining penicillin G with procaine, is a β-lactam antibiotic.

Specifications

Sinonimi

EINECS 200-205-7 | Micro-Pen | Pro-Pen-G | WHRVRSCEWKLAHX-LQDWTQKMSA-N | (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; 2-(diethylamino)ethyl 4-aminobenzoate | 4-Thia-1-azabicyclo(3.2.0)heptane-2-c

Specifiche e purezza

≥98%

Meccanismi biochimici e fisiologici

Penicillin G Procaine (PGP, Penicillin G Procaine, Bicillin C-R), a crystalline complex combining penicillin G with procaine, is a β-lactam antibiotic.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%

Proprietà del prodotto

ALogP

-0.136

Conteggio HBD

2

Legame rotabile

11

Nomi e identificatori

Pubchem Sid

504750957

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504750957

Sorrisi canonici

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1(C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

IUPAC Name

2-(diethylamino)ethyl 4-aminobenzoate;(2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

InChIKey

WHRVRSCEWKLAHX-LQDWTQKMSA-N

INCHI

1S/C16H18N2O4S.C13H20N2O2/c1-16(2)12(15(21)22)18-13(20)11(14(18)23-16)17-10(19)8-9-6-4-3-5-7-9;1-3-15(4-2)9-10-17-13(16)11-5-7-12(14)8-6-11/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);5-8H,3-4,9-10,14H2,1-2H3/t11-,12+,14-;/m1./s1

Isomeri SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)N.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C

PubChem CID

5903

Peso molecolare

570.7

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: Penicillins N-acyl-alpha amino acids and derivatives Phenylacetamides Thiazolidines Tertiary carboxylic acid amides Azetidines Secondary carboxylic acid amides Azacyclic compounds Thiohemiaminal derivatives Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organic oxides Organonitrogen compounds
• Molecular Framework: Not available
• Substituents: Alpha-dipeptide - Penicillin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Phenylacetamide - Penam - Monocyclic benzene moiety - Benzenoid - Beta-lactam - Thiazolidine - Tertiary carboxylic acid amide - Azetidine - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Dialkylthioether - Hemithioaminal - Thioether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• External Descriptors: procaine(1+) salt

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Proprietà chimiche e fisiche

• Solubilità: Solubility (25°C) In vitro DMSO: 100 mg/mL (175.22 mM); Water: 10 mg/mL (17.52 mM); Ethanol: 20 mg/mL
• DMSO (mg/mL) Solubilità massima: 100
• DMSO (mM) Solubilità massima: 175.223409847556
• Acqua (mg/mL) Solubilità massima: 10
• Acqua (mM) Solubilità massima: 17.5223409847556
• Peso molecolare: 570.700 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 11
• Exact Mass: 570.251 Da
• Monoisotopic Mass: 570.251 Da
• Topological Polar Surface Area: 168.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 752.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3